Quantum Monte Carlo Study of Positron Lifetimes in Solids

Simula, Kristoffer and Muff, Jake and Makkonen, Ilja and Drummond, Neil (2022) Quantum Monte Carlo Study of Positron Lifetimes in Solids. Physical review letters, 129 (16): 166403. ISSN 1079-7114

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Abstract

We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling correlation effects with density functionals, we study positron-electron wave functions with long-range correlations included. This gives new insight in understanding positron annihilation in metals, insulators, and semiconductors. By using a new quantum Monte Carlo approach for computation of positron lifetimes, an improved accuracy compared to previous computations is obtained for a representative set of materials when compared with experiment. Thus, we present a method without free parameters as a useful alternative to the already existing methods for modeling positrons in solids.